1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone

C23H19N3O3 — CID 160981198

IUPAC1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone
SMILESO=C(Cc1cc2cc(-c3cnco3)ccc2cn1)c1ccnc(OC2CCC2)c1
InChIInChI=1S/C23H19N3O3/c27-21(15-6-7-25-23(10-15)29-20-2-1-3-20)11-19-9-18-8-16(22-13-24-14-28-22)4-5-17(18)12-26-19/h4-10,12-14,20H,1-3,11H2
InChIKeyFTNCUDVDWGZNTL-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.64
Rot. Bonds6

About 1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone

1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone (PubChem CID 160981198) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone
PubChem CID160981198
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone
SMILESO=C(Cc1cc2cc(-c3cnco3)ccc2cn1)c1ccnc(OC2CCC2)c1
InChIInChI=1S/C23H19N3O3/c27-21(15-6-7-25-23(10-15)29-20-2-1-3-20)11-19-9-18-8-16(22-13-24-14-28-22)4-5-17(18)12-26-19/h4-10,12-14,20H,1-3,11H2
InChIKeyFTNCUDVDWGZNTL-UHFFFAOYSA-N
XLogP4.64
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone
CID 158419194
2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)oxy-4-pyridinyl]ethanone
CID 149088462
1-(4-cyclohexyloxyphenyl)-2-[6-(1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone
CID 158045156
1-(4-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone
CID 157140304
1-(4-cyclohexyloxyphenyl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone
CID 158644367
N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-4-piperidin-3-yloxybenzamide
CID 139362921
2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 149080045
1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
CID 148719871
1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(5-cyclohexyloxy-3-pyridinyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 158774960
1-[4-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 166702258
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-4-yloxyphenyl)ethanone
CID 147095405
2-[6-(2-amino-3H-pyrrol-4-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-cyclobutyloxy-4-pyridinyl)ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)oxy-4-pyridinyl]ethanone
CID 160675350

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone?
The IUPAC name of 1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone (CID 160981198) is 1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone.
What is the SMILES notation for 1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone?
The canonical SMILES for 1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone is O=C(Cc1cc2cc(-c3cnco3)ccc2cn1)c1ccnc(OC2CCC2)c1.
What is the InChIKey of 1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone?
The InChIKey is FTNCUDVDWGZNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-21(15-6-7-25-23(10-15)29-20-2-1-3-20)11-19-9-18-8-16(22-13-24-14-28-22)4-5-17(18)12-26-19/h4-10,12-14,20H,1-3,11H2.
What are the key properties of 1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone?
1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone has a molecular weight of 385.42 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutyloxy-4-pyridinyl)-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone is sourced from PubChem (CID 160981198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).